O-[3-[(3-bromophenyl)carbamoyl]phenyl] N-(4-methoxyphenyl)carbamothioate

Systemtic Name: O-[3-[(3-bromophenyl)carbamoyl]phenyl] N-(4-methoxyphenyl)carbamothioate Openeye Name: O-[3-[(3-bromophenyl)carbamoyl]phenyl] N-(4-methoxyphenyl)carbamothioate CAS Name: N-(4-methoxyphenyl)carbamothioic acid O-[3-[(3-bromoanilino)-oxomethyl]phenyl] ester IUPAC Name: O-[3-[(3-bromophenyl)carbamoyl]phenyl] N-(4-methoxyphenyl)carbamothioate Traditional Name: N-(4-methoxyphenyl)thiocarbamic acid O-[3-[(3-bromophenyl)carbamoyl]phenyl] ester Formula: C21H17BrN2O3S MolecularWeight: 457.34028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)OC2=CC=CC(=C2)C(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)OC2=CC=CC(=C2)C(=O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H17BrN2O3S/c1-26-18-10-8-16(9-11-18)24-21(28)27-19-7-2-4-14(12-19)20(25)23-17-6-3-5-15(22)13-17/h2-13H,1H3,(H,23,25)(H,24,28)